SCHEMBL23916241

SCHEMBL23916241

CCOc1ccc(NC(=O)OC(C)(C)C)c(O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.43
PLAU P00749 2/20 0.42
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
PLAT P00750 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
GAA P10253 1/20 0.41
KCNQ4 P56696 3/20 0.41
KCNQ5 Q9NR82 3/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7966118 0.86 SMN1; SMN2 (0.52) MEN1KMT2APOLBLMNACYP1A2
SCHEMBL28626965 0.85 AAK1 (0.46) MEN1KMT2APOLBLMNACYP1A2
SCHEMBL14358948 0.84 ALDH1A1 (0.43) MEN1KMT2ALMNACYP1A2TDP1
SCHEMBL3910099 0.84 MAOB (0.53) MEN1KMT2ALMNACYP1A2MAPT
SCHEMBL2795277 0.84 NPC1 (0.46) F10MEN1KMT2APOLBLMNA
SCHEMBL31372038 0.84 NPC1 (0.46) F10MEN1KMT2APOLBLMNA
SCHEMBL4568026 0.83 MAPT (0.48) PLAUMEN1KMT2APOLBLMNA
SCHEMBL5556756 0.82 AAK1 (0.46) PLAUMEN1KMT2APOLBLMNA
SCHEMBL8293053 0.82 SQSTM1 (0.43) MEN1KMT2APOLBLMNACYP1A2
SCHEMBL2111071 0.81 KMT2A (0.58) KLKB1PLAUF2F10PLAT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3892616-A1 AROMATIC RING DERIVATIVE AS IMMUNOREGULATION AND PREPARATION METHOD AND APPLICATION OF AROMATIC RING DERIVATIVE Shanghai Jemincare Pharmaceuticals Co., Ltd. (CN) 2021-10-13 EP disclosed